BDBM50494483 CHEMBL3092177
SMILES: CNS(=O)(=O)Nc1cccc(Cc2c(C)c3ccc(Oc4ncccn4)cc3oc2=O)c1C
InChI Key: InChIKey=ITFLUPZBSHAGMZ-UHFFFAOYSA-N
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 2 hits for monomerid = 50494483 Target/Host
(Institution) | Ligand | Target/Host
Links | Ligand
Links | Trg + Lig
Links | Ki
nM | ΔG°
kcal/mole | IC50
nM | Kd
nM | EC50/IC50
nM | koff
s-1 | kon
M-1s-1 | pH | Temp
°C |
|---|
Dual specificity mitogen-activated protein kinase kinase 1/Mitogen-activated protein kinase 1/RAF proto-oncogene serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM50494483
(CHEMBL3092177)Show SMILES CNS(=O)(=O)Nc1cccc(Cc2c(C)c3ccc(Oc4ncccn4)cc3oc2=O)c1C Show InChI InChI=1S/C23H22N4O5S/c1-14-16(6-4-7-20(14)27-33(29,30)24-3)12-19-15(2)18-9-8-17(13-21(18)32-22(19)28)31-23-25-10-5-11-26-23/h4-11,13,24,27H,12H2,1-3H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 4.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Chugai Pharmaceutical Co. Ltd
Curated by ChEMBL
| Assay Description
Inhibition of MEK1 (unknown origin) assessed as phosphorylation of Erk2 preincubated for 30 mins followed by FAM-Erktide addition measured after 60 m... |
ACS Med Chem Lett 4: 1059-63 (2013)
Article DOI: 10.1021/ml4002419
BindingDB Entry DOI: 10.7270/Q20K2CJZ |
More data for this
Ligand-Target Pair | |
RAF proto-oncogene serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM50494483
(CHEMBL3092177)Show SMILES CNS(=O)(=O)Nc1cccc(Cc2c(C)c3ccc(Oc4ncccn4)cc3oc2=O)c1C Show InChI InChI=1S/C23H22N4O5S/c1-14-16(6-4-7-20(14)27-33(29,30)24-3)12-19-15(2)18-9-8-17(13-21(18)32-22(19)28)31-23-25-10-5-11-26-23/h4-11,13,24,27H,12H2,1-3H3 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Chugai Pharmaceutical Co. Ltd
Curated by ChEMBL
| Assay Description
Inhibition of C-Raf (unknown origin) assessed as phosphorylation of MEK1 after 45 mins by TR-FRET assay |
ACS Med Chem Lett 4: 1059-63 (2013)
Article DOI: 10.1021/ml4002419
BindingDB Entry DOI: 10.7270/Q20K2CJZ |
More data for this
Ligand-Target Pair | |
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